N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C4N=C(C=C(N4N=C3)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C4N=C(C=C(N4N=C3)C)C)C

InChI

InChI=1S/C23H21N5O4/c1-13-5-14(2)7-19(6-13)32-20-10-17(9-18(11-20)28(30)31)26-23(29)21-12-24-27-16(4)8-15(3)25-22(21)27/h5-12H,1-4H3,(H,26,29)